N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

C19H12ClFN4O2S — CID 53363435

IUPACN-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncncc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-19-18(25-28(26,27)16-4-2-15(21)3-5-16)8-13(10-23-19)12-1-6-17-14(7-12)9-22-11-24-17/h1-11,25H
InChIKeyFDCNRCBAXUDBRG-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.29
Rot. Bonds4

About N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 53363435) has the molecular formula C19H12ClFN4O2S and a molecular weight of 414.85 g/mol. Its IUPAC name is N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID53363435
Molecular FormulaC19H12ClFN4O2S
Molecular Weight414.85 g/mol
Exact Mass414.04
IUPAC NameN-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncncc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-19-18(25-28(26,27)16-4-2-15(21)3-5-16)8-13(10-23-19)12-1-6-17-14(7-12)9-22-11-24-17/h1-11,25H
InChIKeyFDCNRCBAXUDBRG-UHFFFAOYSA-N
XLogP4.29
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 53363435) is N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3ncncc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is FDCNRCBAXUDBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2S/c20-19-18(25-28(26,27)16-4-2-15(21)3-5-16)8-13(10-23-19)12-1-6-17-14(7-12)9-22-11-24-17/h1-11,25H.
What are the key properties of N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 414.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-quinazolin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 53363435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).